⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6837389 | 0.66 | — | — | |
| SCHEMBL10467309 | 0.66 | — | — | |
| SCHEMBL12763781 | 0.64 | CYP1A2 (0.61) | — | |
| SCHEMBL11623839 | 0.63 | TAAR1 (0.60) | — | |
| SCHEMBL6698873 | 0.63 | CYP1A2 (0.59) | — | |
| SCHEMBL12599389 | 0.62 | NR3C1 (0.53) | — | |
| SCHEMBL18469863 | 0.56 | — | — | |
| SCHEMBL11119985 | 0.56 | — | — | |
| SCHEMBL22144340 | 0.54 | — | — | |
| SCHEMBL8019114 | 0.34 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2945943-B1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |